UCSF

ZINC18207409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.02 5.19 -8.21 1 3 0 45 248.285 2
Ref Reference (pH 7) 5.02 6.43 -8.78 1 3 0 45 248.285 2
Hi High (pH 8-9.5) 5.02 7.2 -42.25 0 3 -1 48 247.277 2
Hi High (pH 8-9.5) 5.02 5.96 -40.2 0 3 -1 48 247.277 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )